CID 3012564

1h-imidazole, 4,5-dibromo-1-b-d-ribofuranosyl-

Structural Information

Molecular Formula
C8H10Br2N2O4
SMILES
C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)Br)Br
InChI
InChI=1S/C8H10Br2N2O4/c9-6-7(10)12(2-11-6)8-5(15)4(14)3(1-13)16-8/h2-5,8,13-15H,1H2/t3-,4-,5-,8-/m1/s1
InChIKey
RUCBOOQJRQWXNR-AFCXAGJDSA-N
Compound name
(2R,3R,4S,5R)-2-(4,5-dibromoimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.90073 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.90801 156.0
[M+Na]+ 378.88995 167.0
[M-H]- 354.89345 161.3
[M+NH4]+ 373.93455 171.7
[M+K]+ 394.86389 152.8
[M+H-H2O]+ 338.89799 163.7
[M+HCOO]- 400.89893 167.3
[M+CH3COO]- 414.91458 204.4
[M+Na-2H]- 376.87540 157.9
[M]+ 355.90018 189.0
[M]- 355.90128 189.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.